4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine

C15H20N2S — CID 116965129

IUPAC4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCc1ccc(-c2csc(CCC(C)N)n2)cc1
InChIInChI=1S/C15H20N2S/c1-3-12-5-7-13(8-6-12)14-10-18-15(17-14)9-4-11(2)16/h5-8,10-11H,3-4,9,16H2,1-2H3
InChIKeyHMJWPWVOTNNABM-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.65
Rot. Bonds5

About 4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine

4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine (PubChem CID 116965129) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine
PubChem CID116965129
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCc1ccc(-c2csc(CCC(C)N)n2)cc1
InChIInChI=1S/C15H20N2S/c1-3-12-5-7-13(8-6-12)14-10-18-15(17-14)9-4-11(2)16/h5-8,10-11H,3-4,9,16H2,1-2H3
InChIKeyHMJWPWVOTNNABM-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965132
4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965140
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968225
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 24703190
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965147
N-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]-3-methoxypropan-1-amine
CID 82103057
2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanol
CID 94267224
4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317833
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine?
The IUPAC name of 4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine (CID 116965129) is 4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine.
What is the SMILES notation for 4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine?
The canonical SMILES for 4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine is CCc1ccc(-c2csc(CCC(C)N)n2)cc1.
What is the InChIKey of 4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine?
The InChIKey is HMJWPWVOTNNABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-12-5-7-13(8-6-12)14-10-18-15(17-14)9-4-11(2)16/h5-8,10-11H,3-4,9,16H2,1-2H3.
What are the key properties of 4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine?
4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine is sourced from PubChem (CID 116965129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).